2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C27H37N3O — CID 58730788

About 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 58730788) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

• Compound Name: 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
• PubChem CID: 58730788
• Molecular Formula: C27H37N3O
• Molecular Weight: 419.61 g/mol
• Exact Mass: 419.29
• IUPAC Name: 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
• SMILES: CNCCN1CCC(c2ccc3[nH]c(-c4cc(C(C)C)ccc4OC)c(C)c3c2)CC1
• InChI: InChI=1S/C27H37N3O/c1-18(2)21-7-9-26(31-5)24(16-21)27-19(3)23-17-22(6-8-25(23)29-27)20-10-13-30(14-11-20)15-12-28-4/h6-9,16-18,20,28-29H,10-15H2,1-5H3
• InChIKey: FHJMWKCPUCJWFO-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 40.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.61
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?

The IUPAC name of 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 58730788) is 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

What is the SMILES notation for 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?

The canonical SMILES for 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4cc(C(C)C)ccc4OC)c(C)c3c2)CC1.

What is the InChIKey of 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?

The InChIKey is FHJMWKCPUCJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-18(2)21-7-9-26(31-5)24(16-21)27-19(3)23-17-22(6-8-25(23)29-27)20-10-13-30(14-11-20)15-12-28-4/h6-9,16-18,20,28-29H,10-15H2,1-5H3.

What are the key properties of 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?

2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 419.61 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).